SCHEMBL489531

SCHEMBL489531

CCCCCN(Cc1ccc(O[C@H](C(=O)O)c2ccccc2)cc1)C(=O)C(CC(=O)O)NC(=O)C(CS)CC(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.40
MMP2 P08253 4/20 0.38
MMP1 P03956 3/20 0.38
MMP3 P08254 2/20 0.38
MMP9 P14780 1/20 0.38
ECE1 P42892 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
PTPN1 P18031 1/20 0.36
MMP8 P22894 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL489532 1.00 MME (0.40) MMEMMP2MMP1MMP3MMP9
SCHEMBL489599 0.90 MME (0.44) MMEPTPN1
SCHEMBL489600 0.90 MME (0.44) MMEPTPN1
SCHEMBL489446 0.88 MMP8 (0.47) ECE1PSEN1PSEN2APH1BNCSTN
SCHEMBL489448 0.88 MMP8 (0.47) ECE1PSEN1PSEN2APH1BNCSTN
SCHEMBL1281586 0.83 MMP1 (0.37) MMEMMP2MMP1MMP3MMP9
SCHEMBL489590 0.77 AGTR1 (0.38) MMEMMP2MMP1MMP8
SCHEMBL489591 0.77 AGTR1 (0.38) MMEMMP2MMP1MMP8
SCHEMBL8058387 0.77 AGTR1 (0.38) MMEMMP2MMP1MMP8
SCHEMBL1282887 0.73 MME (0.37) MME

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236839-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2012-08-07 US disclosed
US-20120088919-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2012-04-12 US disclosed
US-8106082-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2012-01-31 US disclosed
US-20110021585-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2011-01-27 US disclosed
US-7834041-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2010-11-16 US disclosed
US-20090093417-A1 Dual-acting antihypertensive agents THERAVANCE, INC. 2009-04-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090093417-A1 Dual-acting antihypertensive agents AGTR1, REN, AGTR2 MME 5/4885MMP2 797/4885MMP1 1387/4885
US-20110021585-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 MME 5/4885MMP2 797/4885MMP1 1387/4885
US-20120088919-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 MME 5/4885MMP2 797/4885MMP1 1387/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.